7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

C12H17NO2 — CID 64661217

IUPAC7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cccc2c1OC(CC)C2N
InChIInChI=1S/C12H17NO2/c1-3-9-11(13)8-6-5-7-10(14-4-2)12(8)15-9/h5-7,9,11H,3-4,13H2,1-2H3
InChIKeyMGYRKIVAUAIUIY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.26
Rot. Bonds3

About 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64661217) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64661217
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCOc1cccc2c1OC(CC)C2N
InChIInChI=1S/C12H17NO2/c1-3-9-11(13)8-6-5-7-10(14-4-2)12(8)15-9/h5-7,9,11H,3-4,13H2,1-2H3
InChIKeyMGYRKIVAUAIUIY-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43537163
[(2S)-7-ethoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 99981796
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
(5S)-9-ethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014330
N-cyclopropyl-9-ethoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512365
(7-ethoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 126844412
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
(5S,10bS)-7-ethoxy-5-(3-methylthiophen-2-yl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 8700129
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910
3-ethoxytricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 59167729

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine (CID 64661217) is 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine is CCOc1cccc2c1OC(CC)C2N.
What is the InChIKey of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MGYRKIVAUAIUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-11(13)8-6-5-7-10(14-4-2)12(8)15-9/h5-7,9,11H,3-4,13H2,1-2H3.
What are the key properties of 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine?
7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 207.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-ethyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64661217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).